2-[[[3-(2-thiophen-2-ylethynyl)phenyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[[3-(2-thiophen-2-ylethynyl)phenyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[3-[2-(2-thienyl)ethynyl]anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[3-(2-thiophen-2-ylethynyl)anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[3-(2-thiophen-2-ylethynyl)anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[3-[2-(2-thienyl)ethynyl]anilino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H16N3OS+ MolecularWeight: 358.43624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H15N3OS/c25-21-14-18(23-20-8-1-2-11-24(20)21)15-22-17-6-3-5-16(13-17)9-10-19-7-4-12-26-19/h1-8,11-14,22H,15H2/p+1